(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate

C21H25NO3 — CID 15201664

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate
SMILESCC(Oc1ccc2ccccc2c1)C(=O)OC1CC2CCC(C1)N2C
InChIInChI=1S/C21H25NO3/c1-14(24-19-10-7-15-5-3-4-6-16(15)11-19)21(23)25-20-12-17-8-9-18(13-20)22(17)2/h3-7,10-11,14,17-18,20H,8-9,12-13H2,1-2H3
InChIKeyBSPWAULQGAWCDN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.78
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate (PubChem CID 15201664) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate
PubChem CID15201664
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate
SMILESCC(Oc1ccc2ccccc2c1)C(=O)OC1CC2CCC(C1)N2C
InChIInChI=1S/C21H25NO3/c1-14(24-19-10-7-15-5-3-4-6-16(15)11-19)21(23)25-20-12-17-8-9-18(13-20)22(17)2/h3-7,10-11,14,17-18,20H,8-9,12-13H2,1-2H3
InChIKeyBSPWAULQGAWCDN-UHFFFAOYSA-N
XLogP3.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate (CID 15201664) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate is CC(Oc1ccc2ccccc2c1)C(=O)OC1CC2CCC(C1)N2C.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate?
The InChIKey is BSPWAULQGAWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14(24-19-10-7-15-5-3-4-6-16(15)11-19)21(23)25-20-12-17-8-9-18(13-20)22(17)2/h3-7,10-11,14,17-18,20H,8-9,12-13H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate has a molecular weight of 339.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-naphthalen-2-yloxypropanoate is sourced from PubChem (CID 15201664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).